2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate

C11H14O4 — CID 163078675

IUPAC2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-8(12)11(14)15-7-6-9-2-4-10(13)5-3-9/h2-5,8,12-13H,6-7H2,1H3/t8-/m0/s1
InChIKeyMEIJOIQTTNXSGK-QMMMGPOBSA-N
MW210.23 g/mol
LogP0.86
Rot. Bonds4

About 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate

2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate (PubChem CID 163078675) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
PubChem CID163078675
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C11H14O4/c1-8(12)11(14)15-7-6-9-2-4-10(13)5-3-9/h2-5,8,12-13H,6-7H2,1H3/t8-/m0/s1
InChIKeyMEIJOIQTTNXSGK-QMMMGPOBSA-N
XLogP0.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
CID 66769730
[2-(4-hydroxyphenyl)ethoxycarbonylamino]carbamic acid
CID 66863409
2-(4-hydroxyphenyl)ethyl pentanoate
CID 54186146
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
2-[4-(sulfanylamino)phenyl]ethyl 2-methylpropanoate
CID 163815815
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
2-(4-hydroxyphenyl)ethyl 2-phenylacetate
CID 24850763
2-phenylethyl 2-(3,5-dihydroxyphenyl)propanoate
CID 66702239
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
2-(4-hydroxyphenyl)ethyl 2,4-dihydroxybenzoate
CID 139593761

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate (CID 163078675) is 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate is C[C@H](O)C(=O)OCCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate?
The InChIKey is MEIJOIQTTNXSGK-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(12)11(14)15-7-6-9-2-4-10(13)5-3-9/h2-5,8,12-13H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate?
2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate has a molecular weight of 210.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl (2S)-2-hydroxypropanoate is sourced from PubChem (CID 163078675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).